[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone

C17H24N2O5S — CID 56916182

IUPAC[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1N1CCS(=O)(=O)CC1)N1CCCC(O)(CO)C1
InChIInChI=1S/C17H24N2O5S/c20-13-17(22)6-3-7-19(12-17)16(21)14-4-1-2-5-15(14)18-8-10-25(23,24)11-9-18/h1-2,4-5,20,22H,3,6-13H2
InChIKeyONUAPBNDFIMDIJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP-0.12
Rot. Bonds3

About [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone

[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 56916182) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID56916182
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1N1CCS(=O)(=O)CC1)N1CCCC(O)(CO)C1
InChIInChI=1S/C17H24N2O5S/c20-13-17(22)6-3-7-19(12-17)16(21)14-4-1-2-5-15(14)18-8-10-25(23,24)11-9-18/h1-2,4-5,20,22H,3,6-13H2
InChIKeyONUAPBNDFIMDIJ-UHFFFAOYSA-N
XLogP-0.12
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 95729227
[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone
CID 72936739
(3-fluoro-2-methoxyphenyl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56905075
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-one
CID 112677314
(2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 70744529
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95718598
[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 56702900
[3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 154816582
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 99992334
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 95716026
7-methyl-2-(2-morpholin-4-ylbenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922576

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone (CID 56916182) is [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccccc1N1CCS(=O)(=O)CC1)N1CCCC(O)(CO)C1.
What is the InChIKey of [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is ONUAPBNDFIMDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c20-13-17(22)6-3-7-19(12-17)16(21)14-4-1-2-5-15(14)18-8-10-25(23,24)11-9-18/h1-2,4-5,20,22H,3,6-13H2.
What are the key properties of [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 368.46 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56916182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).